CHEMICAL AND PHYSICAL PROPERTIES
Kovats Retention Index | 811 799 797.7 799 799 799 799 798 799 798 799 798 790 799 800 798 |
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SAFETY INFORMATION
Signal word | Danger |
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Pictogram(s) |
Flame Flammables GHS02 Health Hazard GHS08 |
GHS Hazard Statements |
H225:Flammable liquids H304:Aspiration hazard |
Precautionary Statement Codes |
P210:Keep away from heat/sparks/open flames/hot surfaces. — No smoking. P233:Keep container tightly closed. P240:Ground/bond container and receiving equipment. P241:Use explosion-proof electrical/ventilating/lighting/…/equipment. P242:Use only non-sparking tools. P243:Take precautionary measures against static discharge. P280:Wear protective gloves/protective clothing/eye protection/face protection. P331:Do NOT induce vomiting. P301+P310:IF SWALLOWED: Immediately call a POISON CENTER or doctor/physician. P303+P361+P353:IF ON SKIN (or hair): Remove/Take off Immediately all contaminated clothing. Rinse SKIN with water/shower. P370+P378:In case of fire: Use … for extinction. P405:Store locked up. P403+P235:Store in a well-ventilated place. Keep cool. |
COMPUTED DESCRIPTORS
Molecular Weight | 112.21 g/mol |
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XLogP3 | 3.6 |
Hydrogen Bond Donor Count | 0 |
Hydrogen Bond Acceptor Count | 0 |
Rotatable Bond Count | 4 |
Exact Mass | 112.125200510 g/mol |
Monoisotopic Mass | 112.125200510 g/mol |
Topological Polar Surface Area | 0 Ų |
Heavy Atom Count | 8 |
Formal Charge | 0 |
Complexity | 53.1 |
Isotope Atom Count | 0 |
Defined Atom Stereocenter Count | 0 |
Undefined Atom Stereocenter Count | 0 |
Defined Bond Stereocenter Count | 1 |
Undefined Bond Stereocenter Count | 0 |
Covalently-Bonded Unit Count | 1 |
Compound Is Canonicalized | Yes |
PRODUCT INTRODUCTION
description
(Z)-3-octene is a 3-octene in which the double bond adopts a cis-configuration. It has a role as a human metabolite.